SCHEMBL4078006

SCHEMBL4078006

CC(=O)Nc1ccc(F)c(C(C)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HDAC1 Q13547 2/20 0.49
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CDK1 P06493 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
GLA P06280 1/20 0.47
TNNI3 P19429 1/20 0.47
TNNT2 P45379 1/20 0.47
RAB9A P51151 1/20 0.47
TNNC1 P63316 1/20 0.47
RUNX1 Q01196 1/20 0.47
CBFB Q13951 1/20 0.47
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1655468 0.87 MYC (0.56) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL2902152 0.86 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL2983642 0.85 HDAC1 (0.60) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL4405935 0.84 SMN1; SMN2 (0.55) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL17307570 0.83 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL4082732 0.83 L3MBTL1 (0.55) SMN1; SMN2MAPTL3MBTL1CA12CA1
SCHEMBL30368269 0.82 RAB9A (0.58) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL863069 0.82 RAB9A (0.58) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL4403700 0.82 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AMAPTALDH1A1
SCHEMBL15451126 0.81 NPC1 (0.47) SMN1; SMN2MEN1KMT2AMAPTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150344447-A1 NOVEL TRAPS IN THE TREATMENT OF MACULAR DEGENERATION ALDEXA THERAPEUTICS, INC. 2015-12-03 US disclosed
EP-2147914-B1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH CYCLIC GROUPS SHIONOGI & CO (JP) 2014-06-04 EP disclosed
US-8507479-B2 2013-08-13 US disclosed
US-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2012-07-05 US disclosed
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-8168630-B2 Aminodihydrothiazine derivatives substituted with a cyclic group SHIONOGI & CO., LTD. (JP) 2012-05-01 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 US disclosed
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP SHIONOGI & CO., LTD. (JP) 2010-03-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120172355-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 SMN1; SMN2 2618/4885MEN1 1968/4885KMT2A 939/4885
US-20150344447-A1 NOVEL TRAPS IN THE TREATMENT OF MACULAR DEGENERATION PDE6C, PDE6D, PDE6A SMN1; SMN2 3358/4885MEN1 4142/4885KMT2A 4469/4885
US-20100075957-A1 AMINODIHYDROTHIAZINE DERIVATIVES SUBSTITUTED WITH A CYCLIC GROUP APP, IAPP, APBA1 SMN1; SMN2 2702/4885MEN1 2162/4885KMT2A 939/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.